2I42
Crystal structure of Yersinia protein tyrosine phosphatase complexed with vanadate, a transition state analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1995-01-01 |
Detector | SDMS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.390, 49.660, 100.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.200 |
R-factor | 0.17 |
Rwork | 0.170 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB entries 1YTW and 1YTS |
RMSD bond length | 0.018 |
RMSD bond angle | 2.200 |
Data scaling software | XSCALE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.079 | 0.250 |
Number of reflections | 13593 | |
Completeness [%] | 82.0 | 74.3 |
Redundancy | 4.02 | 2.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 400 mM NaCl, 14% PEG 4K, 5% 2-proponol .15% BME, 100mM Tris HCl pH 8.5, 1mM vanadate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |